N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide

C20H30N2O3 — CID 90498657

IUPACN'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H30N2O3/c1-20(25,14-13-16-9-5-4-6-10-16)15-21-18(23)19(24)22-17-11-7-2-3-8-12-17/h4-6,9-10,17,25H,2-3,7-8,11-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyPOUONBFBDJMAOB-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.33
Rot. Bonds6

About N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide

N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide (PubChem CID 90498657) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
PubChem CID90498657
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
SMILESCC(O)(CCc1ccccc1)CNC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H30N2O3/c1-20(25,14-13-16-9-5-4-6-10-16)15-21-18(23)19(24)22-17-11-7-2-3-8-12-17/h4-6,9-10,17,25H,2-3,7-8,11-15H2,1H3,(H,21,23)(H,22,24)
InChIKeyPOUONBFBDJMAOB-UHFFFAOYSA-N
XLogP2.33
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-3-(oxan-4-yl)urea
CID 100676097
N'-cyclopentyl-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)oxamide
CID 90523164
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676
N'-(4-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498674
N'-(3,4-difluorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498678
1-cyclohexyl-3-(2-hydroxy-2-phenylpropyl)urea
CID 110664080
N-[(2R)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-cyclopentyloxamide
CID 99980583
2-(benzylamino)-N-cyclohexyl-2-sulfanylideneacetamide
CID 2976790
N-(2-hydroxy-2-methyl-4-phenylbutyl)-2-methylbenzamide
CID 90498445
2-(cyclohexylamino)-N-(2-phenylethyl)-2-sulfanylideneacetamide
CID 2977537
N-[(2R)-2-hydroxy-2-methyl-4-phenylbutyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94909046

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
The IUPAC name of N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide (CID 90498657) is N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide.
What is the SMILES notation for N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
The canonical SMILES for N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide is CC(O)(CCc1ccccc1)CNC(=O)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
The InChIKey is POUONBFBDJMAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(25,14-13-16-9-5-4-6-10-16)15-21-18(23)19(24)22-17-11-7-2-3-8-12-17/h4-6,9-10,17,25H,2-3,7-8,11-15H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide?
N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide has a molecular weight of 346.47 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide is sourced from PubChem (CID 90498657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).